5-Methylindoline

C₉H₁₁NCAS 65826-95-1133.19 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₉H₁₁N
Molar mass: 133.19 g/mol
Exact mass: 133.0891 Da
logP: 1.96Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed97.5% of notifiers
H411 Toxic to aquatic life with long lasting effects97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

Identifiers

CAS number

65826-95-1

SMILES

CC1=CC2=C(C=C1)NCC2

InChIKey

JFUAVVHABJWSFX-UHFFFAOYSA-N

InChI

InChI=1S/C9H11N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,6,10H,4-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5-Methylindoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Methyl-1,2,3,4-tetrahydroquinoline91-61-281 % similar 5-Bromoindoline22190-33-660 % similar 5-Fluoroindoline2343-22-855 % similar 5-Chloroindoline25658-80-455 % similar 5-Methoxy-2,3-dihydro-1H-indole21857-45-455 % similar 5-(Trifluoromethyl)-2,3-dihydro-1H-indole162100-55-250 % similar 6-Bromo-1,2,3,4-tetrahydroquinoline22190-35-848 % similar Indoline496-15-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(R)-(-)-1-Aminoindan10277-74-4 5,6,7,8-Tetrahydroquinoline10500-57-9 Tranylcypromine155-09-9 Indan-5-amine24425-40-9 2-Aminoindane2975-41-9 4-Cyclopropylaniline3158-71-2 4-Aminoindane32202-61-2 (+-)-1-Aminoindan34698-41-4

Elsewhere

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